Malvern Panalytical’s HighScore Plus is a powerful software platform used for X-ray Diffraction data analysis including pattern treatment, phase identification, crystallographic analysis, quantification methods (including Rietveld refinements and quantification of amorphous content) and several other new features. The training course is aimed at personnel interested in learning various aspects of using the software for different data analysis methods.

It is a 3-day course, covering theoretical aspects of XRD data analysis. But more importantly, it provides a lot of opportunity for hands-on experience in using the software on your own laptop. What's more, there will also be various opportunities for one-on-one consultations with our specialists. You may use this time to discuss the challenging analysis cases.

Participants are expected to use their own laptops  for this training. As part of the course, you will get the latest HighScore Plus trial version software. The HighScore software can handle XRD data collected from most of the XRD brands in the market and is an offline software, so the course is brand neutral. The course will be conducted by our regional XRD application specialist and XRD experts from our factory in the Netherlands.


Phase quantification
August 30 2021 - September 03 2021
12:30 - 16:00
Australian Eastern Time [Sydney]
Online training
X-ray Diffraction (XRD)


Course contents:

  • XRD pattern treatment methods, phase identification with databases, profile fitting methods
  • Structure refinement using Rietveld method, size-strain determinations, line profile analysis etc.
  • Amorphous content determination, PONKCS method quantification
  • Direct Derivation Method (DDM)
  • Unsupervised and supervised learning using cluster analysis and Partial Least Square (PLS) regression
  • Other functionalities such as batch analysis setup, Roboriet automated Rietveld analysis setup, Bitmap conversions, Chemistry calculator

Program - Day 1

(Remember to book your one-on-one sessions with our specialists)

  • Introduction and welcome
  • Interpreting powder XRD data with few application examples
  • Tea break
  • Introduction to HighScore, overview of program features, GUI, and workflow
  • Phase identification, databases
  • Lunch break
  • Introduction to phase quantification including RIR and DDM
  • Tea break
  • Tutorial session 
  • What’s new in HighScore
  • Questions and answer
  • End
  • Optional - 20min one-on-one private consultation with specialists – pls book
  • End

Day 2

  • Recap of day 1 / Questions and answers
  • Rietveld refinement, theory and tutorial
  • Tea break
  • Practicals with the discussion of common challenges e.g. background, preferred orientation, peak asymmetry
  • Lunch break
  • Quantification of amorphous content
  • Practicals and case studies
  • Tea break
  • (continued) Practicals and case studies
  • Questions and answer
  • End
  • Optional - 20min one-on-one private consultation with our specialists – pls book
  • End

Day 3

  • Recap of Day 2 / Questions and answer
  • Crystallite size and micro-strain
  • Tea break
  • Other useful tools in HighScore
  • Lunch break
  • Indexing and structure solution
  • Tools for the analysis of large data sets (unsupervised and supervised learning, automatic batches
  • Tea break
  • Questions and answer
  • Optional - 20min one-on-one private consultation with our specialists – pls book
  • End


Dr Thomas Degen, Malvern Panalytical's Senior XRD Scientist and HighScore Plus Software Developer
Dr Thomas Degen is currently working in the development department of Malvern Panalytical, Almelo, the Netherlands. He gained his Ph.D. working in the field of solid-state chemistry at the Institute of Inorganic Chemistry, University of Bonn, Germany. His research is mainly focused on algorithms and computing in the field of X-ray powder diffraction. Dr Degen has been instrumental in improving the user experience and incorporating smart functionalities of Malvern Panalytical's analytical XRD software. Most notably how the HighScore Plus software is now able to handle not only Rietveld analysis but also phase identification. Among other key features like the Flowchart like automation interface, PONKCS (Partly Or No-Known Crystal Structure), direct derivation method, to multi-variate data analysis like Clustering, t-SNE, PCA, PLSR and more.

Dr Olga Narygina, XRD Application Specialist

Dr Olga Narygina studied physics at the Ural State University (Russia). After completing her master thesis in the field of solid state physics at extreme pressures and temperatures, she moved to Bayerisches Geoinstitut (University of Bayreuth, Germany) to obtain her Ph.D. degree. Her work there focused on high-pressure, high-temperature research of iron-containing silicates and alloys. This was followed by a post-doc position at the University of Edinburgh (The United Kingdom) where Dr Narygina carried on with the material property research at extreme pressure-temperature conditions with the focus on the structural properties of alkali metals. In 2011 Olga joined Malvern Panalytical. She started as an application specialist XRD in our Supply Center, Almelo, the Netherlands. A few years later, she progressed into an XRD product managerial role. Dr Narygina is now based in Queensland and supports the Asia Pacific region in XRD applications, experiments and solutions.

Dr Sandeep Nagar, National Application Specialist for X-ray Diffraction

Dr Nagar completed his PhD in the field of multiferroic thin films manufacturing and characterization from KTH Sweden in 2012. He spent 6 years conducting research at the departments of Physical Sciences and Electronics Engineering at Amity University Noida as well as G D Goenka University Gurgaon. In 2018, Dr Nagar joined Malvern Panalytical as the National XRD Application Specialist. In his role, he has been helping numerous customers across industries; from academia to metals, to cement, polymers, specialty chemicals and more. He not only provides application advice to customers in choosing the relevant X-ray diffractometer for their application. In addition, he provides training so that they further optimize their XRD for research and QC purposes.


Who should attend:

• XRD users who are using any brand of XRD system and wanting to learn and use the Malvern Panalytical’s HighScore software for data analysis.

• HighScore software users who want to improve their expertise in Rietveld analysis and learn some of the new features in the latest HighScore Plus version 4 of the software.

• Beginners with basic knowledge of Powder pattern treatments wanting to learn about the features and use of the HighScore software.


• Opportunity to refresh and improve your knowledge in using the HighScore software

• Professional training by Malvern Panalytical’s factory Expert and certificate for users

• Learning some of the new and interesting capabilities in the software

• Improves reasoning and confidence in XRD data analysis using HighScore

• Opportunity to network with peers and industry professionals

Course requirements

• Bring your own laptops and ensure admin rights have been issued for installation with the latest HighScore Plus trial license

• Recommended Laptop configuration to bring : Windows 10 Professional, Enterprise or Ultimate (64bit) with SP1 or Windows 8.1 Pro (64bit), minimum 4 GB RAM with CD drive or USB slot. Internet Explorer vs 8 minimum. Other OS Win XP or 32 bit Win 7 or Win 8 not advisable to use. HighScore is not supported on Apple MAC computers.


Academia / Early bird price (ends 1month prior to start date): AUD$800 excluding GST

AUD1,000 excluding GST

• Special Academia prices available

All cheques should be made out to Spectris Australia Pty Ltd and attached with our confirmation email.

Which will include the below:

• Certificate of achievement

• Lectures and hands-on practical including one-on-one consultation with our scientists

• Course reading material (soft copy)

Course cancellations

• No course refunds will be given for no shows or participant cancellations

• Should you be unable to attend the intended course, you will be able to postpone your attendance to the next available course date